A novel julolidine-based Schiff base: Crystal structure, DFT calculations, drug-likeness and molecular docking
Yazarlar (5)
Prof. Dr. Meryem Evecen Amasya Üniversitesi, Türkiye
Şafak Bayrak
Amasya Üniversitesi, Türkiye
Amasya Üniversitesi, Türkiye
Dr. Öğr. Üyesi Seher MERAL Sinop Üniversitesi, Türkiye
Ayşen Alaman Ağar Ondokuz Mayis University Faculty Of Science And Arts, Türkiye
Hatice Vural Amasya Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure (Q2) | ||
| Dergi ISSN | 0022-2860 Dergi Bilgileri (2026) | ||
| Makale Dili | İngilizce | Basım Tarihi | 08-2026 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-08-2026 |
| Cilt / Sayı / Sayfa | 1368 / 1 / – | DOI | 10.1016/j.molstruc.2026.146270 |
| Makale Linki | https://www.sciencedirect.com/science/article/pii/S0022286026010331 | ||
| UAK Araştırma Alanları |
Fiziksel Kimya
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| Özet |
| In this study, a novel julolidine-derived Schiff base, 9-((((8-hydroxy-1,1,6,6-tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)methylene)hydrazono)methyl)-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-8-ol (HBTQ),was synthesized and reported for the first time. Single-crystal X-ray diffraction analysis revealed that the compound crystallizes in the centrosymmetric space group, with the asymmetric unit comprising half of the molecule. The structural characterization of the synthesized compound was further supported by FT-IR and UV-Vis spectroscopic techniques. Geometric parameters, such as bond lengths and angles, were determined through detailed structural analysis, which also facilitated the evaluation of intramolecular interactions. Theoretical investigations—encompassing geometry optimization, total energy, dipole moment, atomic charges, and molecular electrostatic … |
| Anahtar Kelimeler |
| DFT | Drug-likeness | Hirshfeld surface analysis | Julolidene | X-ray |
Science Direct
A novel julolidine-based Schiff base: Crystal structure, DFT calculations, drug-likeness and molecular docking
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 1 |